CID 13052877

4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-one

Structural Information

Molecular Formula
C7H5F9O
SMILES
CC(=O)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F9O/c1-3(17)2-4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
InChIKey
YBLYWKGTXUNAOC-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.01965 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.02693 147.3
[M+Na]+ 299.00887 156.3
[M-H]- 275.01237 137.1
[M+NH4]+ 294.05347 162.8
[M+K]+ 314.98281 154.2
[M+H-H2O]+ 259.01691 136.7
[M+HCOO]- 321.01785 154.4
[M+CH3COO]- 335.03350 199.4
[M+Na-2H]- 296.99432 150.7
[M]+ 276.01910 134.4
[M]- 276.02020 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.